[4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

Formula:C27H29N7O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C27H29N7O2Cl2
Smiles	O=C(c(ccc(Cl)c1)c1Cl)Oc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChI	InChI=1S/C27H29Cl2N7O2/c28-20-9-12-22(23(29)17-20)24(37)38-21-10-7-19(8-11-21)18-30-34-25-31-26(35-13-3-1-4-14-35)33-27(32-25)36-15-5-2-6-16-36/h7-12,17-18H,1-6,13-16H2,(H,31,32,33,34)
InChIK	SXUUUCQMLXGJNB-UHFFFAOYSA-N
TotalMolweight	554.48
Molweight	554.48
MonoisotopicMass	553.175977
CLogP	8.571
CLogS	-8.261
H Acceptors	9
H Donors	1
TotalSurfaceArea	415.07
Relative PSA	0.20724
PolarSurfaceArea	95.84
Druglikeness	2.2204
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - [4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

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